3KX6
Crystal structure of fructose-1,6-bisphosphate aldolase from Babesia bovis at 2.1A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.975484 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.880, 114.160, 174.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2PC4 modified with CCP4 program CHAINSAW |
RMSD bond length | 0.016 |
RMSD bond angle | 1.425 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.071 | 0.388 |
Number of reflections | 99984 | |
<I/σ(I)> | 19.7 | 5.1 |
Completeness [%] | 99.2 | 100 |
Redundancy | 8 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 290 | EBS CRYO SCREEN H12: 50% PEG 200, 100MM PHOSPHATE/CITRATE PH 4.2, 200MM NACL; BABOA.00974.A AT 30MG/ML, PH N/A, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K |